Analytical figures of merit: from univariate to multiway calibration
AC Olivieri - Chemical reviews, 2014 - ACS Publications
Figures of merit are numerical parameters that help to characterize the performance of a
device or a system relative to alternative ones. In engineering, they are often defined for …
device or a system relative to alternative ones. In engineering, they are often defined for …
Chemometrics in spectroscopy. Part 1. Classical chemometrics
P Geladi - Spectrochimica Acta Part B: Atomic Spectroscopy, 2003 - Elsevier
An overview is given of chemometrics as it can be applied to spectroscopic and other
multivariate data. Major chemometrics and data analysis techniques are described. An …
multivariate data. Major chemometrics and data analysis techniques are described. An …
[BOOK][B] Multi-way analysis: applications in the chemical sciences
This book is an introduction to the field of multi-way analysis for chemists and
chemometricians. Its emphasis is on the ideas behind the method and its pratical …
chemometricians. Its emphasis is on the ideas behind the method and its pratical …
Uncertainty estimation and figures of merit for multivariate calibration (IUPAC Technical Report)
This paper gives an introduction to multivariate calibration from a chemometrics perspective
and reviews the various proposals to generalize the well-established univariate …
and reviews the various proposals to generalize the well-established univariate …
Uncover the path from PCR to PLS via elastic component regression
This contribution introduces Elastic Component Regression (ECR) as an explorative data
analysis method that utilizes a tuning parameter α∈[0, 1] to supervise the X-matrix …
analysis method that utilizes a tuning parameter α∈[0, 1] to supervise the X-matrix …
Exploring field vegetation reflectance as an indicator of soil contamination in river floodplains
This study investigated the relation between vegetation reflectance and elevated
concentrations of the metals Ni, Cd, Cu, Zn and Pb in river floodplain soils. High-resolution …
concentrations of the metals Ni, Cd, Cu, Zn and Pb in river floodplain soils. High-resolution …
The potential of field spectroscopy for the assessment of sediment properties in river floodplains
L Kooistra, J Wanders, GF Epema, R Leuven… - Analytica Chimica …, 2003 - Elsevier
Investigations have shown that visible-near-infrared (VNIR) spectroscopy can accurately
determine soil properties under laboratory conditions. In situ assessment of soil properties is …
determine soil properties under laboratory conditions. In situ assessment of soil properties is …
Pre-processing applied to instrumental data in analytical chemistry: A brief review of the methods and examples
B Dayananda, S Owen, A Kolobaric… - Critical Reviews in …, 2023 - Taylor & Francis
The field of analytical chemistry has been significantly advanced by the availability of state-
of-the-art instrumentation, allowing for the development of novel applications in this field …
of-the-art instrumentation, allowing for the development of novel applications in this field …
Robustness of models developed by multivariate calibration. Part II: The influence of pre-processing methods
M Zeaiter, JM Roger, V Bellon-Maurel - TrAC trends in analytical chemistry, 2005 - Elsevier
Infrared (IR) spectroscopic techniques combined with multivariate calibration (MVC)
methods are promising for on-line monitoring. In a previous article [M. Zeaiter, M. Roger, V …
methods are promising for on-line monitoring. In a previous article [M. Zeaiter, M. Roger, V …
Robust modelling of soil diffuse reflectance spectra by “bagging-partial least squares regression”
RAV Rossel - Journal of Near Infrared Spectroscopy, 2007 - journals.sagepub.com
Visible (vis), near infrared (NIR) and mid infrared (mid-IR) diffuse reflectance spectroscopy
(DRS) coupled with partial least squares regression (PLSR) are increasingly being used in …
(DRS) coupled with partial least squares regression (PLSR) are increasingly being used in …